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Reduce tolerance of test_free_energy_hessian_dev.py
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tests/test_free_energy_hessian_dev/test_free_energy_hessian_dev.py

Lines changed: 3 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -25,10 +25,12 @@ def test_free_energy_hessian_dev():
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np.testing.assert_allclose(
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dyn_hessian_dev.dynmats,
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dyn_hessian.dynmats,
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atol=1e-4,
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atol=5e-5,
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err_msg="Hessian matrix from dev implementation does not match reference!"
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)
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dyn_hessian.save_qe("hessianv4_new_")
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if __name__ == "__main__":
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test_free_energy_hessian_dev()
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